2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone

C24H32N4O4S — CID 159839864

About 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone

2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone (PubChem CID 159839864) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone
• PubChem CID: 159839864
• Molecular Formula: C24H32N4O4S
• Molecular Weight: 472.61 g/mol
• Exact Mass: 472.21
• IUPAC Name: 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone
• SMILES: COCC1CC1c1ccc(C(=O)CS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)n1
• InChI: InChI=1S/C24H32N4O4S/c1-15-11-24(2,3)28(12-15)23-17(8-9-19(26-23)18-10-16(18)13-32-4)20(29)14-33(30,31)22-7-5-6-21(25)27-22/h5-9,15-16,18H,10-14H2,1-4H3,(H2,25,27)/t15-,16?,18?/m0/s1
• InChIKey: NONRXPPMLUVEIJ-HJOIGYKYSA-N
• XLogP: 3.09
• TPSA: 115.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.61
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone?

The IUPAC name of 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone (CID 159839864) is 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone.

What is the SMILES notation for 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone?

The canonical SMILES for 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone is COCC1CC1c1ccc(C(=O)CS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)n1.

What is the InChIKey of 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone?

The InChIKey is NONRXPPMLUVEIJ-HJOIGYKYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-15-11-24(2,3)28(12-15)23-17(8-9-19(26-23)18-10-16(18)13-32-4)20(29)14-33(30,31)22-7-5-6-21(25)27-22/h5-9,15-16,18H,10-14H2,1-4H3,(H2,25,27)/t15-,16?,18?/m0/s1.

What are the key properties of 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone?

2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 472.61 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 159839864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).